Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50186528
Substrate
n/a
Meas. Tech.
ChEMBL_377172 (CHEMBL869696)
Ki
0.3±n/a nM
Citation
 Wrobleski, ML; Reichard, GA; Paliwal, S; Shah, S; Tsui, HC; Duffy, RA; Lachowicz, JE; Morgan, CA; Varty, GB; Shih, NY Cyclobutane derivatives as potent NK1 selective antagonists. Bioorg Med Chem Lett 16:3859-63 (2006) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46254.43
Organism:
Homo sapiens (Human)
Description:
P25103
Residue:
407
Sequence:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
  
Inhibitor
Name:
BDBM50186528
Synonyms:
CHEMBL212112 | cis-1-{3-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethoxymethyl]-3-phenyl-cyclobutyl}-pyrrolidin-2-one
Type:
Small organic molecule
Emp. Form.:
C25H25F6NO2
Mol. Mass.:
485.4619
SMILES:
C[C@@H](OC[C@@]1(C[C@@H](C1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,wD:6.8,4.3,(22.41,-39.62,;22.42,-41.16,;23.75,-41.93,;25.09,-41.15,;26.42,-41.92,;27.53,-42.98,;26.47,-44.1,;25.36,-43.03,;26.5,-45.64,;25.28,-46.57,;25.78,-48.02,;27.32,-47.99,;27.77,-46.52,;29.22,-46.01,;27.75,-41.14,;29.08,-41.91,;30.41,-41.14,;30.41,-39.6,;29.06,-38.83,;27.74,-39.61,;21.09,-41.94,;19.75,-41.17,;18.42,-41.95,;18.42,-43.49,;19.76,-44.26,;21.09,-43.49,;19.75,-45.8,;18.21,-45.79,;21.29,-45.8,;19.77,-47.34,;17.09,-41.18,;17.85,-39.84,;16.31,-42.51,;15.76,-40.4,)|
Structure:
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